SCHEMBL13709384

SCHEMBL13709384

CC=C(CC)c1ccc(C(=O)OC)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.45
▸ ALDH1A1 P00352 9/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ GAA P10253 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ GLA P06280 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4502194 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL4502453 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2973019 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL12698203 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2978116 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL13203853 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL18704258 0.80 CA1 (0.53) ALDH1A1MAPTHPGDHSD17B10CA12
SCHEMBL45823 0.79 KDM4E (0.67) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL1779744 0.79 LCK (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL1779743 0.79 LCK (0.53) KDM4EALDH1A1MAPTHPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 KDM4E 1938/4885ALDH1A1 3151/4885MAPT 3814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback